SCHEMBL14966734

SCHEMBL14966734

Cc1cc(C)c(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)c(O)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.52
NAMPT P43490 10/20 0.51
ALDH1A1 P00352 3/20 0.46
CA2 P00918 2/20 0.46
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14969096 0.87 KMT2A (0.53) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL14966781 0.84 RAB9A (0.47) KLKB1ALDH1A1SMN1; SMN2HPGD
SCHEMBL14966808 0.84 KLKB1 (0.51) KLKB1ALDH1A1SMN1; SMN2HPGD
SCHEMBL14966763 0.83 SMN1; SMN2 (0.43) KLKB1ALDH1A1SMN1; SMN2MEN1HPGD
SCHEMBL14971998 0.83 NAMPT (0.55) KLKB1NAMPTALDH1A1CA2KMT2A
SCHEMBL14967422 0.83 MAPK14 (0.56) KLKB1ALDH1A1SMN1; SMN2MEN1HPGD
SCHEMBL14967167 0.82 KLKB1 (0.48) KLKB1ALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL14967335 0.82 KLKB1 (0.48) KLKB1ALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL14967617 0.82 KLKB1 (0.48) KLKB1ALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL14967221 0.81 SCD (0.53) KLKB1NAMPTALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 KLKB1 4203/4885NAMPT 392/4885ALDH1A1 1213/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.